input word = C00027665

Metabolite InformationStructural formula
Name 12-Demethoxytabernulosine
10-Methoxypicrinine
Formula C21H24N2O4
Mw 368.17360727
CAS RN 82260-04-6
C_ID C00027665 ,
InChIKey IRMHHGGGRPOHRY-UKZPAJCQNA-N
InChICode InChI=1S/C21H24N2O4/c1-4-11-10-23-16-8-13(11)18(19(24)26-3)20-9-17(23)27-21(16,20)22-15-6-5-12(25-2)7-14(15)20/h4-7,13,16-18,22H,8-10H2,1-3H3/b11-4-/t13-,16-,17-,18+,20-,21-/m0/s1
SMILES [C@@]123O[C@@H]4N5[C@H]3C[C@@H](/C(=C\C)/C5)[C@@H]([C@@]2(c2c(ccc(c2)OC)N1)C4)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeRauwolfia sellowii Ref.
PlantaeApocynaceaeTabernaemontana glandulosa Ref.
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